methyl 5-aminocarbonyl-2-[3-(4-iodanyl-3-methyl-pyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-aminocarbonyl-2-[3-(4-iodanyl-3-methyl-pyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-carbamoyl-2-[3-(4-iodo-3-methyl-pyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[3-(4-iodo-3-methyl-1-pyrazolyl)-1-oxopropyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-carbamoyl-2-[3-(4-iodo-3-methylpyrazol-1-yl)propanoylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[3-(4-iodo-3-methyl-pyrazol-1-yl)propanoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C15H17IN4O4S MolecularWeight: 476.28935

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN2C=C(C(=N2)C)I)C(=O)N

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN2C=C(C(=N2)C)I)C(=O)N

InChI

InChI=1S/C15H17IN4O4S/c1-7-11(15(23)24-3)14(25-12(7)13(17)22)18-10(21)4-5-20-6-9(16)8(2)19-20/h6H,4-5H2,1-3H3,(H2,17,22)(H,18,21)